N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide

C12H12F2N2O — CID 162744824

IUPACN-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(F)c(F)c12
InChIInChI=1S/C12H12F2N2O/c1-7(17)15-5-4-8-6-16-10-3-2-9(13)12(14)11(8)10/h2-3,6,16H,4-5H2,1H3,(H,15,17)
InChIKeyJWVRAWLKKJICJS-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.12
Rot. Bonds3

About N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide

N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide (PubChem CID 162744824) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide
PubChem CID162744824
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC NameN-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(F)c(F)c12
InChIInChI=1S/C12H12F2N2O/c1-7(17)15-5-4-8-6-16-10-3-2-9(13)12(14)11(8)10/h2-3,6,16H,4-5H2,1H3,(H,15,17)
InChIKeyJWVRAWLKKJICJS-UHFFFAOYSA-N
XLogP2.12
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 610660
N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 110477254
2-(4-fluoro-5-methyl-1H-indol-3-yl)ethanamine
CID 15274380
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide
CID 145222330
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 87897806
[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
CID 169222411
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide
CID 167960853
N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
CID 110630730
N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide
CID 71755478
bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride
CID 158716765

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide (CID 162744824) is N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide is CC(=O)NCCc1c[nH]c2ccc(F)c(F)c12.
What is the InChIKey of N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is JWVRAWLKKJICJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-7(17)15-5-4-8-6-16-10-3-2-9(13)12(14)11(8)10/h2-3,6,16H,4-5H2,1H3,(H,15,17).
What are the key properties of N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide?
N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 238.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 162744824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).